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Searched refs:build_dftb_overlap (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqmmm_tb_methods.F52 USE qs_dftb_matrices, ONLY: build_dftb_overlap
161 CALL build_dftb_overlap(qs_env, 0, matrix_s)
278 CALL build_dftb_overlap(qs_env, 0, matrix_s)
379 CALL build_dftb_overlap(qs_env, 0, matrix_s)
655 CALL build_dftb_overlap(qs_env, 1, matrix_s)
899 CALL build_dftb_overlap(qs_env, 1, matrix_s)
H A Dqs_dftb_matrices.F85 PUBLIC :: build_dftb_matrices, build_dftb_ks_matrix, build_dftb_overlap
669 SUBROUTINE build_dftb_overlap(qs_env, nderivative, matrix_s) subroutine
870 END SUBROUTINE build_dftb_overlap
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqmmm_tb_methods.F52 USE qs_dftb_matrices, ONLY: build_dftb_overlap
161 CALL build_dftb_overlap(qs_env, 0, matrix_s)
278 CALL build_dftb_overlap(qs_env, 0, matrix_s)
379 CALL build_dftb_overlap(qs_env, 0, matrix_s)
655 CALL build_dftb_overlap(qs_env, 1, matrix_s)
899 CALL build_dftb_overlap(qs_env, 1, matrix_s)
H A Dqs_dftb_matrices.F85 PUBLIC :: build_dftb_matrices, build_dftb_ks_matrix, build_dftb_overlap
669 SUBROUTINE build_dftb_overlap(qs_env, nderivative, matrix_s) subroutine
870 END SUBROUTINE build_dftb_overlap
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/
H A Drt_propagation.F49 USE qs_dftb_matrices, ONLY: build_dftb_overlap
210 CALL build_dftb_overlap(qs_env, 1, matrix_s)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/
H A Drt_propagation.F49 USE qs_dftb_matrices, ONLY: build_dftb_overlap
212 CALL build_dftb_overlap(qs_env, 1, matrix_s)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/emd/
H A Drt_propagation_utils.F44 USE qs_dftb_matrices, ONLY: build_dftb_overlap
137 CALL build_dftb_overlap(qs_env, nder, s_derivs)
/dports/science/cp2k-data/cp2k-7.1.0/src/emd/
H A Drt_propagation_utils.F44 USE qs_dftb_matrices, ONLY: build_dftb_overlap
137 CALL build_dftb_overlap(qs_env, nder, s_derivs)